3MPO

the crystal structure of a hydrolase from lactobacillus brevis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 61
  • Norm. En. per Res.: -5.9393
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-46.6376	-44.3418	-146.997	-237.9764	65	20	4	7363	5	37	38
A-C	-50.729	-103.4248	-200.72	-354.8739	63	10	16	8338	10	12	13
A-D	0.0	34.1434	-4.5998	29.5437	11	0	0	274	0	8	6
B-C	0.0	32.3622	-4.2315	28.1308	11	0	0	285	0	8	6
B-D	-63.6376	-101.2557	-197.403	-362.2963	61	12	15	8218	9	11	13
C-D	-47.6617	-25.5665	-162.869	-236.0972	62	13	4	7323	5	37	37

Interface residues

• A-B: ALA104A, ALA104B, ALA117A, ALA117B, ALA97A, ALA97B, ALA99A, ALA99B, ARG100A, ARG100B, ARG103A, ARG103B, ARG139A, ARG139B, ARG146A, ARG146B, ARG176A, ARG176B, ASN118A, ASN118B, ASP120A, ASP120B, ASP147B, ASP91A, ASP91B, ASP94A, ASP94B, GLU140A, GLU140B, GLU143A, GLU143B, GLU90A, GLU90B, GLU96A, GLU96B, ILE93A, ILE93B, LEU95A, LEU95B, LYS101A, LYS101B, LYS119A, LYS119B, PHE173A, PHE173B, PHE177B, PRO145B, SER142A, SER142B, THR144A, THR144B, THR88A, THR88B, TRP98A, TRP98B, TYR138A, TYR138B, TYR89A, TYR89B, TYR92A, TYR92B, VAL102A, VAL102B, VAL141A, VAL141B
• A-C: ALA117A, ALA117C, ALA123A, ALA123C, ALA127A, ALA127C, ARG133A, ARG133C, ARG139A, ARG139C, ASN118A, ASN118C, ASP120A, ASP120C, GLN137A, GLN137C, GLU128A, GLU128C, GLU140A, GLU140C, GLU143A, GLU143C, HIS105A, HIS105C, ILE114A, ILE114C, ILE121A, ILE121C, ILE126A, ILE126C, ILE136A, ILE136C, LEU131A, LEU131C, LEU135A, LEU135C, LYS119A, LYS119C, SER122A, SER122C, SER129A, SER129C, SER142A, SER142C, THR116A, THR116C, THR125A, THR125C, THR144A, TYR113A, TYR113C, TYR115A, TYR115C, TYR124A, TYR124C, TYR130A, TYR130C, TYR138A, TYR138C, TYR158A, TYR158C, VAL132C, VAL141A
• A-D: ARG139A, ARG139D, GLU140A, GLU140D, GLU143A, GLU143D, LYS119A, LYS119D, SER142A, TYR138A, TYR138D
• B-C: ARG139B, ARG139C, GLU140B, GLU140C, GLU143B, GLU143C, LYS119B, LYS119C, SER142C, TYR138B, TYR138C
• B-D: ALA117B, ALA117D, ALA123B, ALA123D, ALA127B, ALA127D, ARG133B, ARG133D, ARG139B, ARG139D, ASN118B, ASN118D, ASP120B, ASP120D, GLN137B, GLN137D, GLU128B, GLU128D, GLU140B, GLU140D, GLU143B, GLU143D, HIS105B, HIS105D, ILE114B, ILE114D, ILE121B, ILE121D, ILE126B, ILE126D, ILE136B, ILE136D, LEU131B, LEU131D, LEU135B, LEU135D, LYS119B, LYS119D, SER122B, SER122D, SER129B, SER129D, SER142B, SER142D, THR116B, THR116D, THR125B, THR125D, TYR113B, TYR113D, TYR115B, TYR115D, TYR124B, TYR124D, TYR130B, TYR130D, TYR138B, TYR138D, TYR158B, TYR158D, VAL132B
• C-D: ALA104C, ALA104D, ALA117C, ALA117D, ALA97C, ALA97D, ALA99C, ALA99D, ARG100C, ARG100D, ARG103C, ARG103D, ARG139C, ARG139D, ARG146C, ARG146D, ARG176C, ARG176D, ASN118C, ASN118D, ASP120C, ASP120D, ASP91C, ASP91D, ASP94C, ASP94D, GLU140C, GLU140D, GLU143C, GLU143D, GLU90C, GLU90D, GLU96C, GLU96D, ILE93C, ILE93D, LEU95C, LEU95D, LYS101C, LYS101D, LYS119C, LYS119D, PHE173C, PHE173D, SER142C, SER142D, THR144C, THR144D, THR88C, THR88D, TRP98C, TRP98D, TYR138C, TYR138D, TYR89C, TYR89D, TYR92C, TYR92D, VAL102C, VAL102D, VAL141C, VAL141D